SCHEMBL9572425

SCHEMBL9572425

CCOC(=O)C(C)Oc1cc(Oc2ccc(Cl)cc2Cl)ccc1C#N

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MRGPRX4 Q96LA9 2/20 0.42
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
CYP2D6 P10635 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
NOS2 P35228 2/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AR P10275 1/20 0.40
EPHX2 P34913 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9572461 0.89 FFAR1 (0.45) FFAR1SMN1; SMN2MEN1KMT2ATDP1
SCHEMBL9572423 0.89 FFAR1 (0.43) FFAR1SMN1; SMN2MEN1KMT2ATDP1
SCHEMBL9572452 0.89 FFAR1 (0.43) FFAR1SMN1; SMN2MEN1KMT2ATDP1
SCHEMBL9572402 0.87 FFAR1 (0.48) FFAR1MEN1KMT2ATDP1MRGPRX4
SCHEMBL9572396 0.87 TSHR (0.51) FFAR1SMN1; SMN2MRGPRX4HTTCYP2D6
SCHEMBL9572442 0.86 FFAR1 (0.42) FFAR1SMN1; SMN2MEN1KMT2ATDP1
SCHEMBL9492512 0.83 FFAR1 (0.57) FFAR1SMN1; SMN2MEN1KMT2ATDP1
SCHEMBL9572392 0.82 SLC6A4 (0.44) FFAR1SMN1; SMN2TDP1MRGPRX4CYP2D6
SCHEMBL9507464 0.81 TDP1 (0.53) FFAR1SMN1; SMN2MEN1KMT2ATDP1
SCHEMBL9572410 0.80 AR (0.44) FFAR1SMN1; SMN2HTTCYP2D6SLC6A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0533925-A1 OPTICAL ISOMER OF R-FORM OF DIPHENYL ETHER DERIVATIVE AND HERBICIDE CONTAINING THE SAME AS ACTIVE INGREDIENT TEIJIN LIMITED (JP) 1993-03-31 EP disclosed